| Entry |
|
|---|
| Name |
Canverixin (USAN) |
|---|
| Formula |
C27H28F2N6O3
|
|---|
| Exact mass |
522.2191
|
|---|
| Mol weight |
522.55
|
|---|
| Structure |
|
|---|
| Efficacy |
Immunomodulator, Chemokine (C-X-C motif) receptor 7 antagonist |
|---|
| Comment |
Treatment of multiple sclerosis
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04060 | Cytokine-cytokine receptor interaction |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 38
1 N1y N 13.3700 -33.6000
2 C1x C 13.3700 -35.0000
3 C1y C 14.5600 -35.7000
4 C1y C 15.8200 -35.0000
5 C1x C 15.8200 -33.6000
6 C1x C 14.5600 -32.9000
7 C1b C 12.1800 -32.9000
8 C1y C 10.9900 -33.6000
9 C1x C 9.5900 -33.6000
10 C1x C 10.2900 -34.7900
11 C5a C 14.5600 -37.1000
12 O5a O 13.3000 -37.8000
13 N1b N 15.7500 -37.8000
14 C1z C 15.7500 -39.2000
15 C1x C 14.3500 -39.2000
16 C1x C 15.0500 -40.4600
17 C8y C 16.9400 -39.9000
18 N5x N 16.9400 -41.3000
19 C8x C 18.1300 -42.0000
20 C8x C 19.3900 -41.3000
21 C8x C 19.3900 -39.9000
22 N5x N 18.1300 -39.2000
23 N1b N 17.0100 -35.7000
24 C5a C 18.2700 -35.0000
25 C8y C 19.4600 -35.7700
26 O5a O 18.2700 -33.6000
27 N5x N 19.8800 -37.1000
28 O2x O 21.2800 -37.1000
29 C8y C 21.7700 -35.7700
30 C8x C 20.6500 -34.9300
31 C8y C 22.9600 -35.0700
32 C8x C 24.1500 -35.7700
33 C8x C 25.4100 -35.0700
34 C8y C 25.4100 -33.6700
35 C8x C 24.2200 -32.9700
36 C8y C 22.9600 -33.6700
37 X F 26.6253 -32.9749
38 X F 21.7534 -32.9600
BOND 43
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 1
9 9 8 1
10 8 10 1
11 10 9 1
12 3 11 1 #Up
13 11 12 2
14 11 13 1
15 13 14 1
16 15 14 1
17 14 16 1
18 16 15 1
19 17 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 17 22 1
25 17 14 1
26 4 23 1 #Down
27 23 24 1
28 24 25 1
29 24 26 2
30 25 27 2
31 27 28 1
32 28 29 1
33 29 30 2
34 25 30 1
35 29 31 1
36 31 32 2
37 32 33 1
38 33 34 2
39 34 35 1
40 35 36 2
41 31 36 1
42 34 37 1
43 36 38 1
|
|---|
